(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate hydrobromide

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate hydrobromide Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate hydrobromide CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester hydrobromide IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate hydrobromide Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid phthalidyl ester hydrobromide Formula: C21H14BrF3N2O4 MolecularWeight: 495.24607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F.Br

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F.Br

InChI

InChI=1S/C21H13F3N2O4.BrH/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20;/h1-11,20H,(H,25,26);1H